CAS RN: 374934-77-7
1,4-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihexylbenzene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251020 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTB6157
- Purity/Analytical Methods: >98.0%(GC)
374934-77-7 / 2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
374934-77-7
Multi CAS
No
Molecular Formula
B2C30H52O4
Molecular Weight
498.400000
Exact Mass
498.405171
InChI
InChI=1S/C30H52B2O4/c1-11-13-15-17-19-23-21-26(32-35-29(7,8)30(9,10)36-32)24(20-18-16-14-12-2)22-25(23)31-33-27(3,4)28(5,6)34-31/h21-22H,11-20H2,1-10H3
InChIKey
DUUOFXHIWNBPSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.8
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
153.57
TPSA
36.92
LogP / Solubility
WLOGP
6.53
MLOGP
5.78
XLogP3
6.53
Consensus LogP
6.28
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-8.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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